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Chemical structure of BAY-876

GC19061

BAY-876

Also known as 4-N-[1-[(4-cyanophenyl)methyl]-5-methyl-3-(trifluoromethyl)pyrazol-4-yl]-7-fluoroquinoline-2,4-dicarboxamide

BAY-876 is a selective glucose transporter 1 (GLUT1) inhibitor with IC50 of 2 nM· The IC50 of BAY-876 for GLUT2, GLUT3 and GLUT4 are 10·8, 1·67 and 0·29μM, respectively

ChemicalCAS1799753-84-6MW496.42FormulaC24H16F4N6O2
CAS number
1799753-84-6
Molecular weight
496.42
Formula
C24H16F4N6O2
Solubility
DMSO ： ≥ 100 mg/mL (201·44 mM);Water ： ＜ 0·1 mg/mL (insoluble)
InChIKey
BKLJDIJJOOQUFG-UHFFFAOYSA-N
Catalogue number
GC19061
Brand
GLPBIO
Computed properties PubChem CID 118191391 · XLogP 3.3 · TPSA 127 Ų · H-bond donors 2
XLogP
3.3
TPSA
127 Ų
H-bond donors
2
H-bond acceptors
9
Rotatable bonds
5
Heavy atoms
36

SMILES CC1=C(C(=NN1CC2=CC=C(C=C2)C#N)C(F)(F)F)NC(=O)C3=CC(=NC4=C3C=CC(=C4)F)C(=O)N

Computed descriptors from PubChem (CID 118191391), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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Documents
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